5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C26H33N3O — CID 163231513

About 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 163231513) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

• Compound Name: 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• PubChem CID: 163231513
• Molecular Formula: C26H33N3O
• Molecular Weight: 403.57 g/mol
• Exact Mass: 403.26
• IUPAC Name: 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• SMILES: Cc1ccc(NCC(C)(C)N(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12
• InChI: InChI=1S/C26H33N3O/c1-18-14-15-21(27-17-26(3,4)29(5)6)16-24(18)25(30)28-19(2)22-13-9-11-20-10-7-8-12-23(20)22/h7-16,19,27H,17H2,1-6H3,(H,28,30)/t19-/m1/s1
• InChIKey: GZGNIEPGQDYHFS-LJQANCHMSA-N
• XLogP: 5.39
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.57
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The IUPAC name of 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 163231513) is 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

What is the SMILES notation for 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The canonical SMILES for 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NCC(C)(C)N(C)C)cc1C(=O)N[C@H](C)c1cccc2ccccc12.

What is the InChIKey of 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

The InChIKey is GZGNIEPGQDYHFS-LJQANCHMSA-N. The full InChI is InChI=1S/C26H33N3O/c1-18-14-15-21(27-17-26(3,4)29(5)6)16-24(18)25(30)28-19(2)22-13-9-11-20-10-7-8-12-23(20)22/h7-16,19,27H,17H2,1-6H3,(H,28,30)/t19-/m1/s1.

What are the key properties of 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?

5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 403.57 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 163231513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).